10967/159 - QDB Compounds

QsarDB Repository

Wen, Y.; Su, L. M.; Qin, W. C.; Fu, L.; He, J.; Zhao, Y. H. Linear and non-linear relationships between soil sorption and hydrophobicity: Model, validation and influencing factors. Chemosphere 2012, 86, 634–640.

Compound

ID:343
Name:Isoproturon
Description:
Labels:training, Phenylureas_and_methylureas
CAS:34123-59-6
InChi Code:InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.1

experimental value

2.16

Eq1: Linear correlation with logP (Training set)

2.11

Eq2: Non-linear regression model (Training set)

2.11

Eq3: Non-linear regression model with correction factors (Training set)

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